Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | BUB1 | O43683 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL7019878 | 0.87 | NOS3 (0.49) | NOS3NOS2KCNN4GRM4KMT2A | |
| Bromide SCHEMBL7025522 | 0.83 | NOS3 (0.41) | NOS3NOS2GRM4ROCK1KIF11 | |
| Bromide SCHEMBL7023284 | 0.83 | NOS3 (0.45) | NOS3NOS2KIF11BUB1KMT2A | |
| Bromide SCHEMBL7180638 | 0.82 | CYP19A1 (0.39) | KCNN4KIF11CYP19A1KMT2ARAB9A | |
| Bromide SCHEMBL7023615 | 0.81 | NOS3 (0.50) | NOS3NOS2ROCK2ROCK1KIF11 | |
| Bromide SCHEMBL7020460 | 0.81 | NOS3 (0.45) | NOS3NOS2KMT2AKDM4EGABRP | |
| Bromide SCHEMBL7019216 | 0.80 | NOS3 (0.39) | NOS3NOS2ROCK2ROCK1KIF11 | |
| Bromide SCHEMBL7024209 | 0.78 | NOS3 (0.45) | NOS3NOS2ROCK1CYP19A1KMT2A | |
| Bromide SCHEMBL7021586 | 0.78 | KIF11 (0.41) | NOS3NOS2ROCK2ROCK1KIF11 | |
| Bromide SCHEMBL7021464 | 0.75 | NOS3 (0.41) | NOS3NOS2ROCK1KMT2ANPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268474-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074811-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |